8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

C24H30FN3O — CID 118567682

IUPAC8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCc1cccnc1N1CC2(CCN(CCc3ccccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C24H30FN3O/c1-19-5-4-13-26-22(19)28-17-23(9-10-23)29-24(18-28)11-15-27(16-12-24)14-8-20-6-2-3-7-21(20)25/h2-7,13H,8-12,14-18H2,1H3
InChIKeyWLDOTDKNMFMZHQ-UHFFFAOYSA-N
MW395.52 g/mol
LogP3.98
Rot. Bonds4

About 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane

8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (PubChem CID 118567682) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.

Molecular Properties

Compound Name8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
PubChem CID118567682
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane
SMILESCc1cccnc1N1CC2(CCN(CCc3ccccc3F)CC2)OC2(CC2)C1
InChIInChI=1S/C24H30FN3O/c1-19-5-4-13-26-22(19)28-17-23(9-10-23)29-24(18-28)11-15-27(16-12-24)14-8-20-6-2-3-7-21(20)25/h2-7,13H,8-12,14-18H2,1H3
InChIKeyWLDOTDKNMFMZHQ-UHFFFAOYSA-N
XLogP3.98
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The IUPAC name of 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane (CID 118567682) is 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane.
What is the SMILES notation for 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The canonical SMILES for 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is Cc1cccnc1N1CC2(CCN(CCc3ccccc3F)CC2)OC2(CC2)C1.
What is the InChIKey of 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
The InChIKey is WLDOTDKNMFMZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-19-5-4-13-26-22(19)28-17-23(9-10-23)29-24(18-28)11-15-27(16-12-24)14-8-20-6-2-3-7-21(20)25/h2-7,13H,8-12,14-18H2,1H3.
What are the key properties of 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane?
8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane has a molecular weight of 395.52 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-fluorophenyl)ethyl]-12-(3-methyl-2-pyridinyl)-4-oxa-8,12-diazadispiro[2.1.55.33]tridecane is sourced from PubChem (CID 118567682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).